Molecular Properties | |
SMILES: | O=C(Cn1c(=O)c2cc(C3CC3)nn2c2ncccc21)NCc1ccc(F)cc1 |
MW: | 391.14 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 81.29 |
cLogP: | 2.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1866282754 |
MolPort: | MolPort-010-930-749 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-b77b7921-5
0.814
MAR-TRE-04c86cea-6
0.800
MAR-TRE-b77b7921-8
0.725
MAR-TRE-4b834d9a-18
0.716
MAR-TRE-b77b7921-26
0.696
MAR-TRE-b77b7921-10
0.688
MAR-TRE-b77b7921-19
0.667
MAR-TRE-d0525fbf-94
0.645
MAR-TRE-04c86cea-27
0.642
MAR-TRE-74c6519b-64
0.625
MAR-TRE-b77b7921-84
0.621
MAR-TRE-f6f5f473-70
0.613
MAR-TRE-f6f5f473-59
0.582
MAR-TRE-f6f5f473-44
0.580
MAR-TRE-74c6519b-88
0.574
MAR-TRE-4b834d9a-5
0.573
MAR-TRE-3e4e6814-14
0.558
MAR-TRE-04c86cea-73
0.541
MAR-TRE-4b834d9a-14
0.536
MAR-TRE-04c86cea-63
0.531
MAR-TRE-4b834d9a-11
0.515
MAR-TRE-4b834d9a-22
0.515
MAR-TRE-04c86cea-16
0.505
MAR-TRE-4b834d9a-60
0.500
MAR-TRE-f6f5f473-17
0.500
MAR-TRE-d0525fbf-22
0.486
MAR-TRE-04c86cea-52
0.485
MAR-TRE-4b834d9a-47
0.480
MAR-TRE-7f7bb9f0-93
0.480
MAR-TRE-74c6519b-30
0.471
MAR-TRE-74c6519b-73
0.469
MAR-TRE-d0525fbf-38
0.467
MAR-TRE-d0525fbf-37
0.462
MAR-TRE-f6f5f473-66
0.455
MAR-TRE-74c6519b-6
0.451
MAR-TRE-b77b7921-3
0.448
MAR-TRE-f6f5f473-43
0.447
MAR-TRE-74c6519b-3
0.446
MAR-TRE-b77b7921-54
0.443
MAR-TRE-4b834d9a-35
0.442
MAR-TRE-74c6519b-60
0.438
MAR-TRE-f6f5f473-88
0.438
MAR-TRE-9c797165-92
0.437
MAR-TRE-4b834d9a-39
0.434
MAR-TRE-74c6519b-5
0.434
MAR-TRE-b77b7921-4
0.433
MAR-TRE-4b834d9a-6
0.429
MAR-TRE-3e4e6814-73
0.427
MAR-TRE-7f7bb9f0-7
0.425
MAR-TRE-67513f76-11
0.423
MAR-TRE-f6f5f473-62
0.422
MAR-TRE-74c6519b-2
0.422
MAR-TRE-4b834d9a-2
0.422
MAR-TRE-04c86cea-1
0.421
MAR-TRE-74c6519b-61
0.420
MAR-TRE-3e4e6814-5
0.418
MAR-TRE-4b834d9a-25
0.417
MAR-TRE-3e4e6814-12
0.417
MAR-TRE-4b834d9a-21
0.417
MAR-TRE-04c86cea-36
0.415
MAR-TRE-4b834d9a-13
0.415
MAR-TRE-67513f76-76
0.415
MAR-TRE-04c86cea-56
0.407
MAR-TRE-67513f76-52
0.407
MAR-TRE-04c86cea-2
0.407
MAR-TRE-f6f5f473-16
0.407
MAR-TRE-d0525fbf-1
0.404
MAR-TRE-04c86cea-72
0.404
MAR-TRE-04c86cea-4
0.404
MAR-TRE-4b834d9a-4
0.404
MAR-TRE-d0525fbf-5
0.402
MAR-TRE-74c6519b-1
0.400
MAR-TRE-74c6519b-27
0.400
MAR-TRE-74c6519b-70
0.400
MAR-TRE-f6f5f473-34
0.400
MAR-TRE-b77b7921-2
0.398
MAR-TRE-4b834d9a-69
0.398
MAR-TRE-b77b7921-11
0.398
MAR-TRE-f6f5f473-45
0.396
MAR-TRE-4b834d9a-12
0.394
MAR-TRE-b77b7921-90
0.394
MAR-TRE-74c6519b-25
0.394
MAR-TRE-7f7bb9f0-5
0.393
MAR-TRE-b77b7921-6
0.393
MAR-TRE-f6f5f473-82
0.393
MAR-TRE-d0525fbf-39
0.391
MAR-TRE-d0525fbf-70
0.389
MAR-TRE-4b834d9a-20
0.389
MAR-TRE-3e4e6814-7
0.389
MAR-TRE-7f7bb9f0-70
0.387
MAR-TRE-4b834d9a-3
0.387
MAR-TRE-d0525fbf-68
0.386
MAR-TRE-3e4e6814-21
0.385
MAR-TRE-d0525fbf-4
0.384
MAR-TRE-7f7bb9f0-9
0.384
MAR-TRE-74c6519b-8
0.382
MAR-TRE-d0525fbf-7
0.381
MAR-TRE-4b834d9a-83
0.375
MAR-TRE-3e4e6814-19
0.375
MAR-TRE-f6f5f473-22
0.375